K8G
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O01 | C02 | doub | 1.21Å | 1.27Å | |
O09 | N08 | sing | 1.22Å | 1.18Å | |
C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
O14 | C13 | doub | 1.21Å | 1.27Å | |
C02 | C04 | sing | 1.48Å | 1.53Å | |
C02 | O03 | sing | 1.35Å | 1.26Å | |
C04 | C12 | doub | 1.41Å | 1.39Å | Aromatic |
C07 | N08 | sing | 1.48Å | 1.45Å | |
C07 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
N08 | O10 | doub | 1.22Å | 1.18Å | |
C12 | C11 | sing | 1.39Å | 1.38Å | Aromatic |
C12 | C13 | sing | 1.48Å | 1.53Å | |
C13 | O15 | sing | 1.35Å | 1.27Å | |
C05 | H1 | sing | 1.08Å | 1.08Å | |
C06 | H2 | sing | 1.08Å | 1.08Å | |
C11 | H3 | sing | 1.08Å | 1.08Å | |
O03 | H4 | sing | 0.97Å | 0.95Å | |
O15 | H5 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O01 | C02 | C04 | 120.1° | 120.0° |
O01 | C02 | O03 | 121.4° | 120.0° |
O09 | N08 | C07 | 119.7° | 120.0° |
O09 | N08 | O10 | 121.3° | 120.0° |
C06 | C05 | C04 | 119.8° | 120.0° |
C05 | C06 | C07 | 119.7° | 120.4° |
C06 | C05 | H1 | 120.1° | 120.0° |
C05 | C06 | H2 | 120.2° | 119.8° |
C05 | C04 | C02 | 119.3° | 120.2° |
C05 | C04 | C12 | 120.6° | 119.6° |
C04 | C05 | H1 | 120.1° | 120.0° |
C06 | C07 | N08 | 119.1° | 119.8° |
C06 | C07 | C11 | 120.7° | 120.4° |
C07 | C06 | H2 | 120.1° | 119.8° |
O14 | C13 | C12 | 121.6° | 120.0° |
O14 | C13 | O15 | 121.0° | 120.0° |
C04 | C02 | O03 | 118.5° | 120.1° |
C02 | C04 | C12 | 120.1° | 120.2° |
C02 | O03 | H4 | 109.5° | 117.1° |
C04 | C12 | C11 | 119.7° | 119.6° |
C04 | C12 | C13 | 119.6° | 120.2° |
N08 | C07 | C11 | 120.2° | 119.8° |
C07 | N08 | O10 | 118.9° | 120.0° |
C07 | C11 | C12 | 119.5° | 120.0° |
C07 | C11 | H3 | 120.2° | 120.0° |
C11 | C12 | C13 | 120.7° | 120.1° |
C12 | C11 | H3 | 120.2° | 120.0° |
C12 | C13 | O15 | 117.5° | 120.1° |
C13 | O15 | H5 | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O01 | C02 | C04 | C05 | 115.2° | 125.0° |
O01 | C02 | C04 | O03 | 179.7° | 180.0° |
O01 | C02 | C04 | C12 | 64.8° | 55.3° |
O01 | C02 | O03 | H4 | 0.0° | 0.0° |
O09 | N08 | C07 | C06 | 128.7° | 180.0° |
O09 | N08 | C07 | O10 | 179.0° | 180.0° |
O09 | N08 | C07 | C11 | 51.7° | 0.0° |
C06 | C05 | C04 | H1 | 180.0° | 180.0° |
C05 | C06 | C07 | H2 | 180.0° | 180.0° |
C06 | C05 | C04 | C02 | 179.9° | 180.0° |
C06 | C05 | C04 | C12 | 0.1° | 0.3° |
C05 | C06 | C07 | N08 | 179.2° | 180.0° |
C05 | C06 | C07 | C11 | 0.4° | 0.0° |
C04 | C05 | C06 | C07 | 0.6° | 0.0° |
C05 | C04 | C02 | C12 | 180.0° | 179.7° |
C05 | C04 | C02 | O03 | 64.4° | 55.0° |
C05 | C04 | C12 | C11 | 0.9° | 0.5° |
C05 | C04 | C12 | C13 | 178.8° | 179.7° |
C04 | C05 | C06 | H2 | 179.4° | 180.0° |
C06 | C07 | N08 | C11 | 179.6° | 180.0° |
C06 | C07 | N08 | O10 | 52.3° | 0.0° |
C06 | C07 | C11 | C12 | 0.4° | 0.2° |
C07 | C06 | C05 | H1 | 179.5° | 180.0° |
C06 | C07 | C11 | H3 | 179.6° | 179.9° |
O14 | C13 | C12 | C04 | 122.5° | 6.4° |
O14 | C13 | C12 | C11 | 59.6° | 173.9° |
O14 | C13 | C12 | O15 | 179.7° | 179.7° |
O14 | C13 | O15 | H5 | 0.0° | 0.3° |
C02 | C04 | C12 | C11 | 179.1° | 179.8° |
C02 | C04 | C12 | C13 | 1.2° | 0.0° |
C02 | C04 | C05 | H1 | 0.1° | 0.0° |
C04 | C02 | O03 | H4 | 179.7° | 180.0° |
O03 | C02 | C04 | C12 | 115.6° | 124.7° |
C04 | C12 | C11 | C07 | 1.0° | 0.5° |
C04 | C12 | C11 | C13 | 177.9° | 179.8° |
C04 | C12 | C13 | O15 | 57.8° | 173.3° |
C12 | C04 | C05 | H1 | 179.9° | 179.7° |
C04 | C12 | C11 | H3 | 179.0° | 179.7° |
N08 | C07 | C11 | C12 | 180.0° | 179.8° |
N08 | C07 | C06 | H2 | 0.8° | 0.0° |
N08 | C07 | C11 | H3 | 0.0° | 0.1° |
C11 | C07 | N08 | O10 | 127.3° | 180.0° |
C07 | C11 | C12 | H3 | 180.0° | 179.8° |
C07 | C11 | C12 | C13 | 179.0° | 179.7° |
C11 | C07 | C06 | H2 | 179.6° | 180.0° |
C11 | C12 | C13 | O15 | 120.1° | 6.5° |
C13 | C12 | C11 | H3 | 1.1° | 0.1° |
C12 | C13 | O15 | H5 | 179.7° | 180.0° |
H1 | C05 | C06 | H2 | 0.6° | 0.0° |